如何将Gnuplot中MD模拟DSSP图的X轴从帧数转换为纳秒？

Got it, let's tweak your Gnuplot script to display nanoseconds on the X-axis instead of frame counts—no need to edit your raw data at all. Here's the breakdown of the changes you need to make:

• Update the X-axis label to reflect time instead of frames:
  Replace set xlabel "Frame" with set xlabel "Time (ns)"
• Adjust the X-axis range to match the converted nanosecond value:
  Your max frame is 7002, so 7002 * 0.002 = 14.004 ns. Change set xrange [ 0.000:7002.000] to set xrange [0.000:14.004]
• Map frame numbers to nanoseconds during plotting:
  Modify your splot command to multiply the first column (frame number) by 0.002 on the fly. Instead of splot "-" with pm3d title "hhhh.gnu", use:
  splot "-" using ($1*0.002):2:3 with pm3d title "hhhh.gnu"
• Set custom X-axis ticks to show 0,1,2,...,14 ns:
  Add or replace the xtics setting with set xtics 0,1,14 (this sets start at 0, step by 1, end at 14)

Modified Script Snippet #

set pm3d map corners2color c1
set ytics 1.000, 1.000
set ytics ("HM1_187@O2D-SER_137@OG-HG" 1.000,"HM1_187@O1D-SER_137@OG-HG" 2.000)
set xlabel "Time (ns)"  # Updated to reflect nanoseconds
set ylabel ""
set yrange [ 0.000: 4.000]
set xrange [0.000:14.004]  # Scaled to match max time in ns
set xtics 0,1,14  # Custom ticks for 0-14 ns
splot "-" using ($1*0.002):2:3 with pm3d title "hhhh.gnu"
1.000 1.000 1
1.000 2.000 0
1.000 3.000 0
2.000 1.000 1
2.000 2.000 1
2.000 3.000 0
# ... rest of your data lines

Quick Explanation #

This approach keeps your original data completely intact—Gnuplot handles the frame-to-nanosecond conversion dynamically when plotting. The using ($1*0.002):2:3 syntax tells Gnuplot to:

1. Take the first column (frame number) and multiply by 0.002 to get the time in nanoseconds
2. Use the second column for the Y-axis values
3. Use the third column for the color data required by pm3d

The custom xtics setting ensures your X-axis shows clean, integer nanosecond values exactly as you requested.

内容的提问来源于stack exchange，提问作者khalid